CID 3060559

Wp132

Structural Information

Molecular Formula
C6H15N6PS
SMILES
CN(C)P(=S)(N1C(=NC=N1)N)N(C)C
InChI
InChI=1S/C6H15N6PS/c1-10(2)13(14,11(3)4)12-6(7)8-5-9-12/h5H,1-4H3,(H2,7,8,9)
InChIKey
JIAUPUCLVUBHDF-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphinothioyl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08165 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08893 148.4
[M+Na]+ 257.07087 155.6
[M-H]- 233.07437 150.1
[M+NH4]+ 252.11547 165.5
[M+K]+ 273.04481 155.7
[M+H-H2O]+ 217.07891 137.7
[M+HCOO]- 279.07985 172.7
[M+CH3COO]- 293.09550 202.8
[M+Na-2H]- 255.05632 148.1
[M]+ 234.08110 150.8
[M]- 234.08220 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.